Glycoside
...
GD153563

Name:
None

Formula:
C50H60O13N8

Smiles:
CNC(=N)NC1CCC2c3c(c4c(c(O)c31)C(=O)c1c(OC3OC(CO)C(O)(CC(CN5C(=O)C=CC5=O)C5=CCNC(N)=C5)C(O)C3O)cc(OC)cc1C4=O)CCC(CCO)C2C1=CNC(N)C=C1

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CNC(=N)NC1CCC2c3c(c4c(c(O)c31)C(=O)c1c(O)cc(OC)cc1C4=O)CCC(CCO)C2C1=CNC(N)C=C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 15 FractionCSP3: 0.46
AlogP: -0.46 Num_rotatable_bonds: 13
MolWt: 981.07 Num_heavy_atoms: 71
TPSA: 344.6 NumAromaticRings: 2

Unique Aglycone
AD45449
Formula: C12H15O2N3

Smiles:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: -0.12 Num_rotatable_bonds: 3
MolWt: 233.27 Num_heavy_atoms: 17
TPSA: 75.43 NumAromaticRings: 0
AD61058
Formula: C32H37O6N5

Smiles:
CNC(=N)NC1CCC2c3c(c4c(c(O)c31)C(=O)c1c(O)cc(OC)cc1C4=O)CCC(CCO)C2C1=CNC(N)C=C1
HBA: 11 RingCount: 6
HBD: 9 FractionCSP3: 0.41
AlogP: 2.43 Num_rotatable_bonds: 5
MolWt: 587.68 Num_heavy_atoms: 43
TPSA: 190.02 NumAromaticRings: 2

Sugarmoiety
SD04299

OCC1OC(O)C(O)C(O)C1(O)O